Compound Detail
CHEMBL5438574
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Basic Information
| ChEMBL ID | CHEMBL5438574 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQEORRSNCYZKFM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
3.02
ALogP
6
HBA
2
HBD
89.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase TTK CHEMBL3983 | IC50 | 8.12 | 8.09 | 7.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase TTK | IC50 | = | 7.6 | nM | 8.12 | Inhibition of full-length MPS1 (unknown origin) using fluorescein-labeled MBP-de... | 38095579 |
| Dual specificity protein kinase TTK | IC50 | = | 8.7 | nM | 8.06 | Inhibition of MPS1 (unknown origin) | 38795520 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38795520 | 10.1016/j.ejmech.2024.116504 | Dual specificity protein kinase TTK | 2 |
| 38095579 | 10.1021/acs.jmedchem.3c00963 | Dual specificity protein kinase TTK | 1 |
Data from ChEMBL 36 via Core Engine